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Assay Detail

CHEMBL1909136

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)
ChEMBL ↗
1742
Total Activities
871
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Cell Type BTI-TN-5B1-4
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

Cytochrome P450 2D6 (CHEMBL289) ↗
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

DrugMatrix in vitro pharmacology data
Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 871 5.97 7.80
Ki 871 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL157138 LISURIDE 3.0 2 7.80
CHEMBL1729 CISAPRIDE 4.0 2 7.16
CHEMBL1754 DOXAPRAM 4.0 2 7.00
CHEMBL1909072 PIPAMAZINE 4.0 2 7.00
CHEMBL253376 BROMHEXINE 3.0 2 6.71
CHEMBL1201193 LEVOBUPIVACAINE 4.0 2 6.71
CHEMBL531 PERGOLIDE 4.0 2 6.70
CHEMBL822 TERBINAFINE 4.0 2 6.70
CHEMBL115769 — — 2 6.70
CHEMBL1201356 METHYLERGONOVINE 4.0 2 6.70
CHEMBL19215 METERGOLINE 2.0 2 6.70
CHEMBL94 PHYSOSTIGMINE 3.0 2 6.70
CHEMBL762 OXYMETAZOLINE 4.0 2 6.70
CHEMBL2107687 VALETHAMATE BROMIDE -1.0 2 6.61
CHEMBL564 PROMAZINE 4.0 2 6.52
CHEMBL95 TACRINE 4.0 2 6.52
CHEMBL728 PROCHLORPERAZINE 4.0 2 6.52
CHEMBL511 PYRILAMINE 4.0 2 6.52
CHEMBL990 BUTENAFINE 4.0 2 6.52
CHEMBL936 DIPHENIDOL 4.0 2 6.49
CHEMBL1200396 BUPIVACAINE HYDROCHLORIDE 4.0 2 6.40
CHEMBL808 ECONAZOLE 4.0 2 6.40
CHEMBL900 ORPHENADRINE 4.0 2 6.40
CHEMBL1909073 PIPERILATE ETHOBROMIDE — 2 6.28
CHEMBL153479 AMBROXOL 3.0 2 6.25
CHEMBL41 FLUOXETINE 4.0 2 6.16
CHEMBL1221512 — — 2 6.16
CHEMBL86 METOCLOPRAMIDE 4.0 2 6.10
CHEMBL429 LABETALOL 4.0 2 6.10
CHEMBL1221 SULCONAZOLE 4.0 2 6.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL157138 LISURIDE IC50 = 16.0 nM 7.80
CHEMBL1729 CISAPRIDE IC50 = 70.0 nM 7.16
CHEMBL1754 DOXAPRAM IC50 = 100.0 nM 7.00
CHEMBL1909072 PIPAMAZINE IC50 = 100.0 nM 7.00
CHEMBL1201193 LEVOBUPIVACAINE IC50 = 196.4 nM 6.71
CHEMBL253376 BROMHEXINE IC50 = 195.8 nM 6.71
CHEMBL762 OXYMETAZOLINE IC50 = 200.0 nM 6.70
CHEMBL19215 METERGOLINE IC50 = 200.0 nM 6.70
CHEMBL1201356 METHYLERGONOVINE IC50 = 200.0 nM 6.70
CHEMBL94 PHYSOSTIGMINE IC50 = 200.0 nM 6.70
CHEMBL531 PERGOLIDE IC50 = 200.0 nM 6.70
CHEMBL822 TERBINAFINE IC50 = 200.0 nM 6.70
CHEMBL115769 — IC50 = 200.0 nM 6.70
CHEMBL2107687 VALETHAMATE BROMIDE IC50 = 248.5 nM 6.61
CHEMBL95 TACRINE IC50 = 300.0 nM 6.52
CHEMBL564 PROMAZINE IC50 = 300.0 nM 6.52
CHEMBL728 PROCHLORPERAZINE IC50 = 300.0 nM 6.52
CHEMBL990 BUTENAFINE IC50 = 300.0 nM 6.52
CHEMBL511 PYRILAMINE IC50 = 300.0 nM 6.52
CHEMBL936 DIPHENIDOL IC50 = 326.3 nM 6.49
CHEMBL1200396 BUPIVACAINE HYDROCHLORIDE IC50 = 400.0 nM 6.40
CHEMBL900 ORPHENADRINE IC50 = 400.0 nM 6.40
CHEMBL808 ECONAZOLE IC50 = 400.0 nM 6.40
CHEMBL1909073 PIPERILATE ETHOBROMIDE IC50 = 521.0 nM 6.28
CHEMBL153479 AMBROXOL IC50 = 557.4 nM 6.25
CHEMBL1221512 — IC50 = 700.0 nM 6.16
CHEMBL41 FLUOXETINE IC50 = 700.0 nM 6.16
CHEMBL86 METOCLOPRAMIDE IC50 = 800.0 nM 6.10
CHEMBL429 LABETALOL IC50 = 800.0 nM 6.10
CHEMBL1221 SULCONAZOLE IC50 = 800.0 nM 6.10
CHEMBL64894 GENTIAN VIOLET IC50 = 824.4 nM 6.08
CHEMBL75880 PERHEXILINE IC50 = 940.8 nM 6.03
CHEMBL445 NORTRIPTYLINE IC50 = 1000.0 nM 6.00
CHEMBL1909065 MADURAMICIN ACID IC50 = 1000.0 nM 6.00
CHEMBL490 PAROXETINE IC50 = 1000.0 nM 6.00
CHEMBL19019 NALTREXONE IC50 = 1000.0 nM 6.00
CHEMBL5314404 AJMALINE IC50 = 1000.0 nM 6.00
CHEMBL1262 OXICONAZOLE IC50 = 1000.0 nM 6.00
CHEMBL118 CELECOXIB IC50 = 1000.0 nM 6.00
CHEMBL91 MICONAZOLE IC50 = 1000.0 nM 6.00
CHEMBL1089 PHENELZINE IC50 = 1000.0 nM 6.00
CHEMBL1200406 DIMENHYDRINATE IC50 = 1509.0 nM 5.82
CHEMBL479 THIORIDAZINE IC50 = 1772.6 nM 5.75
CHEMBL10 SB-203580 IC50 = 2000.0 nM 5.70
CHEMBL27 PROPRANOLOL IC50 = 2000.0 nM 5.70
CHEMBL521589 BAMBUTEROL IC50 = 2000.0 nM 5.70
CHEMBL80 NALOXONE IC50 = 2000.0 nM 5.70
CHEMBL14192 BENZYLIMIDAZOLE IC50 = 2000.0 nM 5.70
CHEMBL841 LOPERAMIDE IC50 = 2000.0 nM 5.70
CHEMBL15245 YOHIMBINE IC50 = 2031.7 nM 5.69